JSO
Summary
| Name: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one |
| Formula: | C7 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 177.163 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-6-methyl-3~{H}-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13) |
| InChIKey | InChI | 1.06 | UDOGNMDURIJYQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc2N=C(N)NC(=O)c2n1 |
| SMILES | CACTVS | 3.385 | Cc1cnc2N=C(N)NC(=O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc2c(n1)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc2c(n1)C(=O)NC(=N2)N |
